CID 138008026

2243514-70-5

Structural Information

Molecular Formula
C14H10ClF4N
SMILES
C1=CC(=CC=C1C(C2=CC(=CC(=C2)F)C(F)(F)F)N)Cl
InChI
InChI=1S/C14H10ClF4N/c15-11-3-1-8(2-4-11)13(20)9-5-10(14(17,18)19)7-12(16)6-9/h1-7,13H,20H2
InChIKey
PIIGTDSYAJKDFF-UHFFFAOYSA-N
Compound name
(4-chlorophenyl)-[3-fluoro-5-(trifluoromethyl)phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.0438 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.05108 161.6
[M+Na]+ 326.03302 171.5
[M-H]- 302.03652 163.0
[M+NH4]+ 321.07762 177.2
[M+K]+ 342.00696 164.4
[M+H-H2O]+ 286.04106 152.0
[M+HCOO]- 348.04200 175.0
[M+CH3COO]- 362.05765 204.9
[M+Na-2H]- 324.01847 163.4
[M]+ 303.04325 156.8
[M]- 303.04435 156.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.